5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide

C18H25N5O2 — CID 71993661

IUPAC5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-14-13-17(21-20-14)18(24)19-15-3-5-16(6-4-15)25-12-11-23-9-7-22(2)8-10-23/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyFWGPXDHWJUMMGU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds6

About 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 71993661) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID71993661
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-14-13-17(21-20-14)18(24)19-15-3-5-16(6-4-15)25-12-11-23-9-7-22(2)8-10-23/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyFWGPXDHWJUMMGU-UHFFFAOYSA-N
XLogP1.60
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide (CID 71993661) is 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FWGPXDHWJUMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-13-17(21-20-14)18(24)19-15-3-5-16(6-4-15)25-12-11-23-9-7-22(2)8-10-23/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).